N-(1,3-benzodioxol-5-yl)-2-[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridyl]thio]acetamide Formula: C23H19N3O5S MolecularWeight: 449.47906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C23H19N3O5S/c1-28-18-7-4-14(9-20(18)29-2)17-6-3-15(11-24)23(26-17)32-12-22(27)25-16-5-8-19-21(10-16)31-13-30-19/h3-10H,12-13H2,1-2H3,(H,25,27)